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DocumentationIdentifier: MM413662
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413662 |
| SMILES |
CC#CC(=O)N(CC)CC
|
| InChIKey |
SLEPFCXDTLQPJB-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM90498
Similarity: 0.8018
Similarity to MM90498
| Tanimoto metric | 0.8018 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.89 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358926
Similarity: 0.7807
Similarity to MM358926
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8768 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358877
Similarity: 0.7672
Similarity to MM358877
| Tanimoto metric | 0.7672 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8683 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+347 more
